3-phenyl-5-(phenylsulfanyl)-6-(trifluoromethyl)-1,2,4-triazine

3-phenyl-5-(phenylsulfanyl)-6-(trifluoromethyl)-1,2,4-triazine

CAS: 478048-14-5

Formula: C16H10F3N3S

SMILES: FC(F)(F)C1=NN=C(N=C1SC1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 3-phenyl-5-(phenylsulfanyl)-6-(trifluoromethyl)-1,2,4-triazine

InChI: InChI=1S/C16H10F3N3S/c17-16(18,19)13-15(23-12-9-5-2-6-10-12)20-14(22-21-13)11-7-3-1-4-8-11/h1-10H

Composition: C (57.65%), H (3.02%), F (17.10%), N (12.61%), S (9.62%)

Molar Mass: 333.33

Atom Count: 33

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	333.054752997
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ISEANBIBPVJLEN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	96.6
Topological Polar Surface Area	38.67
Polarizability	31.57
Ring Count	3
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	478048-14-5		$51.35-$86.31$51.35$63.37$86.31